| CAS Number | 21037-81-0 |
| Catalog Number | AG00I40X(AGN-PC-00K6RF) |
| Chemical Name | 4-propyl-1H-pyrazole |
| IUPAC Name | 4-propyl-1H-pyrazole |
| InChI | InChI=1S/C6H10N2/c1-2-3-6-4-7-8-5-6/h4-5H,2-3H2,1H3,(H,7,8) |
| InChI Key | YAXKXMVDJJMGRY-UHFFFAOYSA-N |
| MDL Number | MFCD22539170 |
| Molecular Formula | C6H10N2 |
| Molecular Weight | 110.1570 |
| SMILES | CCCC1=CNN=C1 |
| Synonyms | 4-Propyl-1H-pyrazole,
21037-81-0,
1H-Pyrazole, 4-propyl-,
CHEMBL351768,
4-propylpyrazole,
SCHEMBL4629685,
ALBB-017834,
ZX-AN016520,
ZX-CM010002,
BDBM50226189,
MFCD19982745,
ZINC13547622,
AKOS015959935,
FCH1314938,
Y-8136,
|
| Complexity | 63.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 110.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 110.16g/mol |
| Monoisotopic Mass | 110.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number